Name: dTAGV-1-NEG
Brand: BOC Sciences
Rating: 5 (1 reviews)

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IUPACName

[(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[[7-[[(2S)-1-[(2R,4S)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-7-oxoheptyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate

InChI Key

ANLKEOUWAHUESE-SVUPEXKHSA-N

InChI

InChI=1S/C68H90N6O14S/c1-12-49(47-36-57(84-9)61(86-11)58(37-47)85-10)65(79)73-34-20-18-22-51(73)67(81)88-54(31-25-44-26-32-55(82-7)56(35-44)83-8)50-21-16-17-23-53(50)87-40-60(77)69-33-19-14-13-15-24-59(76)72-63(68(4,5)6)66(80)74-39-48(75)38-52(74)64(78)71-42(2)45-27-29-46(30-28-45)62-43(3)70-41-89-62/h16-17,21,23,26-30,32,35-37,41-42,48-49,51-52,54,63,75H,12-15,18-20,22,24-25,31,33-34,38-40H2,1-11H3,(H,69,77)(H,71,78)(H,72,76)/t42-,48-,49-,51-,52+,54+,63+/m0/s1

SMILES

CCC(C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCCC2C(=O)OC(CCC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4OCC(=O)NCCCCCCC(=O)NC(C(=O)N5CC(CC5C(=O)NC(C)C6=CC=C(C=C6)C7=C(N=CS7)C)O)C(C)(C)C

Mechanism

Target: dTAGV-1-NEG is a negative control for FKBP12F36V-targeted dTAGV-1 studies.

Binding site: It is designed as a stereochemical control for FKBP12F36V/VHL degrader systems.

Mechanism of action: dTAGV-1-NEG is a diastereomeric heterobifunctional negative control for the VHL-recruiting degrader dTAGV-1. Although it is structurally related to dTAGV-1, reported experiments show that dTAGV-1-NEG does not induce degradation of FKBP12F36V-Nluc or FKBP12F36V-KRASG12V fusion proteins under tested conditions. It is therefore useful for controlling nonspecific effects related to compound exposure, tag binding, linker architecture, VHL ligand presentation, and cellular handling. In dTAG workflows, dTAGV-1-NEG helps confirm that observed phenotypes require productive VHL-mediated degradation of the FKBP12F36V-tagged protein.

Applications

• PROTAC-Mediated Target Validation: dTAGV-1-NEG serves as a valuable tool in research for validating the function of target proteins. By facilitating the selective degradation of proteins, researchers can assess the biological consequences of protein removal, thus aiding in the identification of potential therapeutic targets.

• Targeted Degradation Mechanism Studies: This product is instrumental in elucidating the mechanisms underlying PROTAC-mediated protein degradation. Researchers can use dTAGV-1-NEG to explore the dynamics of protein ubiquitination and subsequent proteasomal degradation, enhancing our understanding of cellular protein homeostasis.

• Comparative Analysis in Protein Degradation: dTAGV-1-NEG provides a negative control in experiments designed to compare the effects of active PROTACs. It allows researchers to distinguish between degradation-dependent and independent effects, ensuring the specificity and efficacy of protein degradation studies.

• PROTAC Design and Optimization: Researchers can utilize dTAGV-1-NEG in the design and optimization of novel PROTAC molecules. By serving as a benchmark, it aids in refining the chemical properties and degradation efficiency of new compounds, accelerating the development of next-generation targeted degradation strategies.

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* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C₁V₁ = C₂V₂